Name: 1-(1,4-dimethoxy-3-naphthylmethyl)-2-benzyloxycarbonyl-4-(1-hydroxyethyl)-4-hydroxy-cyclohexane
SMILES:
COc1cc(CC2CCC(O)(C(C)O)CC2C(=O)OCc2ccccc2)c(OC)c2ccccc12Molecular Processing
Molecular formula
C29H34O6
Molecular weight
478.59
Exact mass
478.2355
XLogP
4.67
TPSA
85.22
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
134.46
Supplementary Information
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